2,4-Pentanedione, 3-chloro-


Chemical Name: 2,4-Pentanedione, 3-chloro-
CAS Number: 1694-29-7
Product Number: AG0033NE(AGN-PC-0JLBJK)
Synonyms:
MDL No:
Molecular Formula: C5H7ClO2
Molecular Weight: 134.5609

Identification/Properties


Properties
MP:
-15 °C
BP:
49-52°C at 18 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.483(lit.)
Solubility:
7.65g/l
Computed Properties
Molecular Weight:
134.559g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
134.013g/mol
Monoisotopic Mass:
134.013g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
106
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
1224
Hazard Statements:
H226-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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